SCHEMBL16159481

SCHEMBL16159481

c1ccc2c(-c3ccc(-c4ccc5c(-c6ccc(-c7cscn7)cc6)c6ccccc6c(-c6ccc(-c7cscn7)cc6)c5c4)cc3)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.40
ENPP3 O14638 1/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
SCN9A Q15858 1/20 0.39
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 1/20 0.35
ALK Q9UM73 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PIK3CA P42336 1/20 0.33
CHEK2 O96017 1/20 0.33
PARP1 P09874 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16159657 0.95 SCN9A (0.43) ENPP1ENPP3CA12CA1CA2
SCHEMBL16159227 0.93 SCN9A (0.45) ENPP1ENPP3CA12CA1CA2
SCHEMBL16159916 0.90 SCN9A (0.38) ENPP1ENPP3CA12CA1CA2
SCHEMBL16159390 0.90 CA12 (0.40) ENPP1ENPP3CA12CA1CA2
SCHEMBL16159703 0.89 ALK (0.38) ENPP1ENPP3CA12CA1CA2
SCHEMBL16159540 0.89 CA12 (0.37) ENPP1ENPP3CA12CA1CA2
SCHEMBL16159767 0.89 SCN9A (0.38) ENPP1ENPP3CA12CA1CA2
SCHEMBL16159918 0.88 CA12 (0.38) ENPP1ENPP3CA12CA1CA2
SCHEMBL16159866 0.88 SCN9A (0.49) ENPP1ENPP3CA12CA1CA2
SCHEMBL16159503 0.86 SCN9A (0.42) SCN9AHDAC6PIK3CAPARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 ENPP1 1600/4885ENPP3 2099/4885CA12 3652/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.